N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide

C23H36N2O — CID 154872949

IUPACN-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCc1cccc(CN2CCC(N(C)C(=O)C3CCC(C(C)C)CC3)C2)c1
InChIInChI=1S/C23H36N2O/c1-17(2)20-8-10-21(11-9-20)23(26)24(4)22-12-13-25(16-22)15-19-7-5-6-18(3)14-19/h5-7,14,17,20-22H,8-13,15-16H2,1-4H3
InChIKeyDQNSJOWVZOOSKK-UHFFFAOYSA-N
MW356.55 g/mol
LogP4.49
Rot. Bonds5

About N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide

N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 154872949) has the molecular formula C23H36N2O and a molecular weight of 356.55 g/mol. Its IUPAC name is N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide
PubChem CID154872949
Molecular FormulaC23H36N2O
Molecular Weight356.55 g/mol
Exact Mass356.28
IUPAC NameN-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide
SMILESCc1cccc(CN2CCC(N(C)C(=O)C3CCC(C(C)C)CC3)C2)c1
InChIInChI=1S/C23H36N2O/c1-17(2)20-8-10-21(11-9-20)23(26)24(4)22-12-13-25(16-22)15-19-7-5-6-18(3)14-19/h5-7,14,17,20-22H,8-13,15-16H2,1-4H3
InChIKeyDQNSJOWVZOOSKK-UHFFFAOYSA-N
XLogP4.49
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide with MolForge

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Related Compounds

1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335916
2-[methyl-[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 82548262
N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 136515164
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
N-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-N-methylcyclopropanecarboxamide
CID 166603468
N-benzyl-N-methyl-1-[(3-methylphenyl)methyl]piperidin-4-amine;oxalic acid
CID 17369343
2-methyl-3-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]propanamide
CID 83980883
2-amino-2-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]ethanol
CID 83980872
N-tert-butyl-1-[(3-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 155981160
2-amino-2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 83982652
N-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 163349558

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide (CID 154872949) is N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide is Cc1cccc(CN2CCC(N(C)C(=O)C3CCC(C(C)C)CC3)C2)c1.
What is the InChIKey of N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is DQNSJOWVZOOSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O/c1-17(2)20-8-10-21(11-9-20)23(26)24(4)22-12-13-25(16-22)15-19-7-5-6-18(3)14-19/h5-7,14,17,20-22H,8-13,15-16H2,1-4H3.
What are the key properties of N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide?
N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 356.55 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-4-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 154872949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).